The CP2K project : input section RESTRAINT
Section
RESTRAINT
Index of all sections
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__ROOT__
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FORCE_EVAL
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MIXED
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RESTRAINT
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Restraint between two force_eval: E = E1 + k*(E1-E2-t)**2. This section can not be repeated and can not be optional.
Subsections
None
Section keywords
RESTRAINT_TARGET
RESTRAINT_STRENGTH
Keyword descriptions
RESTRAINT_TARGET
RESTRAINT_TARGET
Target value of the restraint (t)
This required keyword expects a real
RESTRAINT_STRENGTH
RESTRAINT_STRENGTH
Strength of the restraint (k) in k*(E1-E2-t)**2
This required keyword expects a real
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